Information card for entry 4028948

Structure parameters

• Formula: C33 H30 O2 S Sn
• Calculated formula: C33 H30 O2 S Sn
• SMILES: [Sn](c1ccccc1)(c1ccccc1)(c1ccccc1)[C@H](C)c1ccccc1S(=O)(=O)c1ccc(cc1)C
• Title of publication: Synthesis and Stereoselective Halogenolysis of Optically Pure Benzylstannanes
• Authors of publication: García Ruano, José L.; Alemán, José; Parra, Alejandro; Alcudia, Ana; Maya, Celia
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Journal issue: 5
• Pages of publication: 2145 - 2152
• a: 9.7176 ± 0.0007 Å
• b: 11.7376 ± 0.0009 Å
• c: 12.5854 ± 0.0009 Å
• α: 90°
• β: 103.468 ± 0.003°
• γ: 90°
• Cell volume: 1396.03 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No